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PubMed code 25602932

Compile data set for download or QSAR
Found 22 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50072415
PNG
(CHEMBL3409378)
Show SMILES CN(CCCn1c2ccc(Br)cc2sc1=O)Cc1ccccc1
Show InChI InChI=1S/C18H19BrN2OS/c1-20(13-14-6-3-2-4-7-14)10-5-11-21-16-9-8-15(19)12-17(16)23-18(21)22/h2-4,6-9,12H,5,10-11,13H2,1H3
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0.600n/an/an/an/an/an/an/an/a



Univ Lille Nord de France

Curated by ChEMBL


Assay Description
Displacement of [3H](+)Pentazocine from sigma 1 receptor in human Jurkat cells after 120 mins by liquid scintillation counting analysis


Eur J Med Chem 92: 575-82 (2015)


Article DOI: 10.1016/j.ejmech.2014.01.013
BindingDB Entry DOI: 10.7270/Q2ZC84JZ
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50072411
PNG
(CHEMBL3409374)
Show SMILES CN(CCCn1c2ccc(Br)cc2oc1=O)Cc1ccccc1
Show InChI InChI=1S/C18H19BrN2O2/c1-20(13-14-6-3-2-4-7-14)10-5-11-21-16-9-8-15(19)12-17(16)23-18(21)22/h2-4,6-9,12H,5,10-11,13H2,1H3
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0.900n/an/an/an/an/an/an/an/a



Univ Lille Nord de France

Curated by ChEMBL


Assay Description
Displacement of [3H](+)Pentazocine from sigma 1 receptor in human Jurkat cells after 120 mins by liquid scintillation counting analysis


Eur J Med Chem 92: 575-82 (2015)


Article DOI: 10.1016/j.ejmech.2014.01.013
BindingDB Entry DOI: 10.7270/Q2ZC84JZ
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50072410
PNG
(CHEMBL3409373)
Show SMILES CN(CCCn1c2cc(Br)ccc2oc1=O)Cc1ccccc1
Show InChI InChI=1S/C18H19BrN2O2/c1-20(13-14-6-3-2-4-7-14)10-5-11-21-16-12-15(19)8-9-17(16)23-18(21)22/h2-4,6-9,12H,5,10-11,13H2,1H3
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1.20n/an/an/an/an/an/an/an/a



Univ Lille Nord de France

Curated by ChEMBL


Assay Description
Displacement of [3H](+)Pentazocine from sigma 1 receptor in human Jurkat cells after 120 mins by liquid scintillation counting analysis


Eur J Med Chem 92: 575-82 (2015)


Article DOI: 10.1016/j.ejmech.2014.01.013
BindingDB Entry DOI: 10.7270/Q2ZC84JZ
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50072418
PNG
(CHEMBL3409381)
Show SMILES CN(CCCN1C(=O)CSc2ccc(Br)cc12)Cc1ccccc1
Show InChI InChI=1S/C19H21BrN2OS/c1-21(13-15-6-3-2-4-7-15)10-5-11-22-17-12-16(20)8-9-18(17)24-14-19(22)23/h2-4,6-9,12H,5,10-11,13-14H2,1H3
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2.20n/an/an/an/an/an/an/an/a



Univ Lille Nord de France

Curated by ChEMBL


Assay Description
Displacement of [3H](+)Pentazocine from sigma 1 receptor in human Jurkat cells after 120 mins by liquid scintillation counting analysis


Eur J Med Chem 92: 575-82 (2015)


Article DOI: 10.1016/j.ejmech.2014.01.013
BindingDB Entry DOI: 10.7270/Q2ZC84JZ
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50072414
PNG
(CHEMBL3409377)
Show SMILES CN(CCCn1c2cc(Br)ccc2sc1=O)Cc1ccccc1
Show InChI InChI=1S/C18H19BrN2OS/c1-20(13-14-6-3-2-4-7-14)10-5-11-21-16-12-15(19)8-9-17(16)23-18(21)22/h2-4,6-9,12H,5,10-11,13H2,1H3
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3.10n/an/an/an/an/an/an/an/a



Univ Lille Nord de France

Curated by ChEMBL


Assay Description
Displacement of [3H](+)Pentazocine from sigma 1 receptor in human Jurkat cells after 120 mins by liquid scintillation counting analysis


Eur J Med Chem 92: 575-82 (2015)


Article DOI: 10.1016/j.ejmech.2014.01.013
BindingDB Entry DOI: 10.7270/Q2ZC84JZ
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50172868
PNG
((S)-2-(3-(benzyl(methyl)amino)propyl)-10,10a-dihyd...)
Show SMILES CN(CCCn1c(O)c2Cc3ccccc3Cn2c1=O)Cc1ccccc1
Show InChI InChI=1S/C22H25N3O2/c1-23(15-17-8-3-2-4-9-17)12-7-13-24-21(26)20-14-18-10-5-6-11-19(18)16-25(20)22(24)27/h2-6,8-11,26H,7,12-16H2,1H3
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4.5n/an/an/an/an/an/an/an/a



Univ Lille Nord de France

Curated by ChEMBL


Assay Description
Displacement of [3H](+)Pentazocine from sigma 1 receptor in human Jurkat cells after 120 mins by liquid scintillation counting analysis


Eur J Med Chem 92: 575-82 (2015)


Article DOI: 10.1016/j.ejmech.2014.01.013
BindingDB Entry DOI: 10.7270/Q2ZC84JZ
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50072416
PNG
(CHEMBL3409379)
Show SMILES CN(CCCn1c2cc(Cl)ccc2sc1=O)Cc1ccccc1
Show InChI InChI=1S/C18H19ClN2OS/c1-20(13-14-6-3-2-4-7-14)10-5-11-21-16-12-15(19)8-9-17(16)23-18(21)22/h2-4,6-9,12H,5,10-11,13H2,1H3
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4.70n/an/an/an/an/an/an/an/a



Univ Lille Nord de France

Curated by ChEMBL


Assay Description
Displacement of [3H](+)Pentazocine from sigma 1 receptor in human Jurkat cells after 120 mins by liquid scintillation counting analysis


Eur J Med Chem 92: 575-82 (2015)


Article DOI: 10.1016/j.ejmech.2014.01.013
BindingDB Entry DOI: 10.7270/Q2ZC84JZ
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50072409
PNG
(CHEMBL3409372)
Show SMILES [H][C@@]12Cc3ccccc3CN1C(=O)N(CCCN1Cc3ccccc3C1)C2=O |r|
Show InChI InChI=1S/C22H23N3O2/c26-21-20-12-16-6-1-2-9-19(16)15-25(20)22(27)24(21)11-5-10-23-13-17-7-3-4-8-18(17)14-23/h1-4,6-9,20H,5,10-15H2/t20-/m0/s1
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5.30n/an/an/an/an/an/an/an/a



Univ Lille Nord de France

Curated by ChEMBL


Assay Description
Displacement of [3H](+)Pentazocine from sigma 1 receptor in human Jurkat cells after 120 mins by liquid scintillation counting analysis


Eur J Med Chem 92: 575-82 (2015)


Article DOI: 10.1016/j.ejmech.2014.01.013
BindingDB Entry DOI: 10.7270/Q2ZC84JZ
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50072456
PNG
(CHEMBL3409387)
Show SMILES Brc1ccc2n(CCCN3Cc4ccccc4C3)c(=O)sc2c1
Show InChI InChI=1S/C18H17BrN2OS/c19-15-6-7-16-17(10-15)23-18(22)21(16)9-3-8-20-11-13-4-1-2-5-14(13)12-20/h1-2,4-7,10H,3,8-9,11-12H2
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5.70n/an/an/an/an/an/an/an/a



Univ Lille Nord de France

Curated by ChEMBL


Assay Description
Displacement of [3H](+)Pentazocine from sigma 1 receptor in human Jurkat cells after 120 mins by liquid scintillation counting analysis


Eur J Med Chem 92: 575-82 (2015)


Article DOI: 10.1016/j.ejmech.2014.01.013
BindingDB Entry DOI: 10.7270/Q2ZC84JZ
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50072412
PNG
(CHEMBL3409375)
Show SMILES CN(CCCn1c2cc(Cl)ccc2oc1=O)Cc1ccccc1
Show InChI InChI=1S/C18H19ClN2O2/c1-20(13-14-6-3-2-4-7-14)10-5-11-21-16-12-15(19)8-9-17(16)23-18(21)22/h2-4,6-9,12H,5,10-11,13H2,1H3
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6.40n/an/an/an/an/an/an/an/a



Univ Lille Nord de France

Curated by ChEMBL


Assay Description
Displacement of [3H](+)Pentazocine from sigma 1 receptor in human Jurkat cells after 120 mins by liquid scintillation counting analysis


Eur J Med Chem 92: 575-82 (2015)


Article DOI: 10.1016/j.ejmech.2014.01.013
BindingDB Entry DOI: 10.7270/Q2ZC84JZ
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50038381
PNG
(CHEMBL1089752)
Show SMILES [H][C@]12Cc3ccccc3CN1C(=O)N(CCCN(C)Cc1ccccc1)C2=O |r|
Show InChI InChI=1S/C22H25N3O2/c1-23(15-17-8-3-2-4-9-17)12-7-13-24-21(26)20-14-18-10-5-6-11-19(18)16-25(20)22(24)27/h2-6,8-11,20H,7,12-16H2,1H3/t20-/m1/s1
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7.10n/an/an/an/an/an/an/an/a



Univ Lille Nord de France

Curated by ChEMBL


Assay Description
Displacement of [3H](+)Pentazocine from sigma 1 receptor in human Jurkat cells after 120 mins by liquid scintillation counting analysis


Eur J Med Chem 92: 575-82 (2015)


Article DOI: 10.1016/j.ejmech.2014.01.013
BindingDB Entry DOI: 10.7270/Q2ZC84JZ
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50072413
PNG
(CHEMBL3409376)
Show SMILES CN(CCCn1c2ccccc2sc1=O)Cc1ccccc1
Show InChI InChI=1S/C18H20N2OS/c1-19(14-15-8-3-2-4-9-15)12-7-13-20-16-10-5-6-11-17(16)22-18(20)21/h2-6,8-11H,7,12-14H2,1H3
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10n/an/an/an/an/an/an/an/a



Univ Lille Nord de France

Curated by ChEMBL


Assay Description
Displacement of [3H](+)Pentazocine from sigma 1 receptor in human Jurkat cells after 120 mins by liquid scintillation counting analysis


Eur J Med Chem 92: 575-82 (2015)


Article DOI: 10.1016/j.ejmech.2014.01.013
BindingDB Entry DOI: 10.7270/Q2ZC84JZ
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM21398
PNG
(4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...)
Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2
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12n/an/an/an/an/an/an/an/a



Univ Lille Nord de France

Curated by ChEMBL


Assay Description
Displacement of [3H](+)Pentazocine from sigma 1 receptor in human Jurkat cells after 120 mins by liquid scintillation counting analysis


Eur J Med Chem 92: 575-82 (2015)


Article DOI: 10.1016/j.ejmech.2014.01.013
BindingDB Entry DOI: 10.7270/Q2ZC84JZ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50072455
PNG
(CHEMBL3409386)
Show SMILES O=c1sc2ccccc2n1CCCN1Cc2ccccc2C1
Show InChI InChI=1S/C18H18N2OS/c21-18-20(16-8-3-4-9-17(16)22-18)11-5-10-19-12-14-6-1-2-7-15(14)13-19/h1-4,6-9H,5,10-13H2
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30n/an/an/an/an/an/an/an/a



Univ Lille Nord de France

Curated by ChEMBL


Assay Description
Displacement of [3H](+)Pentazocine from sigma 1 receptor in human Jurkat cells after 120 mins by liquid scintillation counting analysis


Eur J Med Chem 92: 575-82 (2015)


Article DOI: 10.1016/j.ejmech.2014.01.013
BindingDB Entry DOI: 10.7270/Q2ZC84JZ
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50072431
PNG
(CHEMBL3409383)
Show SMILES CN(CCCn1c(C)nc2ccccc12)Cc1ccccc1
Show InChI InChI=1S/C19H23N3/c1-16-20-18-11-6-7-12-19(18)22(16)14-8-13-21(2)15-17-9-4-3-5-10-17/h3-7,9-12H,8,13-15H2,1-2H3
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>100n/an/an/an/an/an/an/an/a



Univ Lille Nord de France

Curated by ChEMBL


Assay Description
Displacement of [3H](+)Pentazocine from sigma 1 receptor in human Jurkat cells after 120 mins by liquid scintillation counting analysis


Eur J Med Chem 92: 575-82 (2015)


Article DOI: 10.1016/j.ejmech.2014.01.013
BindingDB Entry DOI: 10.7270/Q2ZC84JZ
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50295425
PNG
(3-[3-(N-Benzyl-N-methylamino)propyl]benzo[d]oxazol...)
Show SMILES CN(CCCn1c2ccccc2oc1=O)Cc1ccccc1
Show InChI InChI=1S/C18H20N2O2/c1-19(14-15-8-3-2-4-9-15)12-7-13-20-16-10-5-6-11-17(16)22-18(20)21/h2-6,8-11H,7,12-14H2,1H3
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>100n/an/an/an/an/an/an/an/a



Univ Lille Nord de France

Curated by ChEMBL


Assay Description
Displacement of [3H](+)Pentazocine from sigma 1 receptor in human Jurkat cells after 120 mins by liquid scintillation counting analysis


Eur J Med Chem 92: 575-82 (2015)


Article DOI: 10.1016/j.ejmech.2014.01.013
BindingDB Entry DOI: 10.7270/Q2ZC84JZ
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50072432
PNG
(CHEMBL3409384)
Show SMILES O=c1oc2ccccc2n1CCCN1Cc2ccccc2C1
Show InChI InChI=1S/C18H18N2O2/c21-18-20(16-8-3-4-9-17(16)22-18)11-5-10-19-12-14-6-1-2-7-15(14)13-19/h1-4,6-9H,5,10-13H2
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>100n/an/an/an/an/an/an/an/a



Univ Lille Nord de France

Curated by ChEMBL


Assay Description
Displacement of [3H](+)Pentazocine from sigma 1 receptor in human Jurkat cells after 120 mins by liquid scintillation counting analysis


Eur J Med Chem 92: 575-82 (2015)


Article DOI: 10.1016/j.ejmech.2014.01.013
BindingDB Entry DOI: 10.7270/Q2ZC84JZ
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50072417
PNG
(CHEMBL3409380)
Show SMILES CN(CCCN1C(=O)COc2ccc(Br)cc12)Cc1ccccc1
Show InChI InChI=1S/C19H21BrN2O2/c1-21(13-15-6-3-2-4-7-15)10-5-11-22-17-12-16(20)8-9-18(17)24-14-19(22)23/h2-4,6-9,12H,5,10-11,13-14H2,1H3
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>100n/an/an/an/an/an/an/an/a



Univ Lille Nord de France

Curated by ChEMBL


Assay Description
Displacement of [3H](+)Pentazocine from sigma 1 receptor in human Jurkat cells after 120 mins by liquid scintillation counting analysis


Eur J Med Chem 92: 575-82 (2015)


Article DOI: 10.1016/j.ejmech.2014.01.013
BindingDB Entry DOI: 10.7270/Q2ZC84JZ
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50072454
PNG
(CHEMBL3409385)
Show SMILES Brc1ccc2n(CCCN3Cc4ccccc4C3)c(=O)oc2c1
Show InChI InChI=1S/C18H17BrN2O2/c19-15-6-7-16-17(10-15)23-18(22)21(16)9-3-8-20-11-13-4-1-2-5-14(13)12-20/h1-2,4-7,10H,3,8-9,11-12H2
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>100n/an/an/an/an/an/an/an/a



Univ Lille Nord de France

Curated by ChEMBL


Assay Description
Displacement of [3H](+)Pentazocine from sigma 1 receptor in human Jurkat cells after 120 mins by liquid scintillation counting analysis


Eur J Med Chem 92: 575-82 (2015)


Article DOI: 10.1016/j.ejmech.2014.01.013
BindingDB Entry DOI: 10.7270/Q2ZC84JZ
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50072457
PNG
(CHEMBL3409388)
Show SMILES Brc1ccc2OCC(=O)N(CCCN3Cc4ccccc4C3)c2c1
Show InChI InChI=1S/C19H19BrN2O2/c20-16-6-7-18-17(10-16)22(19(23)13-24-18)9-3-8-21-11-14-4-1-2-5-15(14)12-21/h1-2,4-7,10H,3,8-9,11-13H2
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>100n/an/an/an/an/an/an/an/a



Univ Lille Nord de France

Curated by ChEMBL


Assay Description
Displacement of [3H](+)Pentazocine from sigma 1 receptor in human Jurkat cells after 120 mins by liquid scintillation counting analysis


Eur J Med Chem 92: 575-82 (2015)


Article DOI: 10.1016/j.ejmech.2014.01.013
BindingDB Entry DOI: 10.7270/Q2ZC84JZ
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50072458
PNG
(CHEMBL3409389)
Show SMILES Cn1c2ccccc2n(CCCN2Cc3ccccc3C2)c1=O
Show InChI InChI=1S/C19H21N3O/c1-20-17-9-4-5-10-18(17)22(19(20)23)12-6-11-21-13-15-7-2-3-8-16(15)14-21/h2-5,7-10H,6,11-14H2,1H3
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>100n/an/an/an/an/an/an/an/a



Univ Lille Nord de France

Curated by ChEMBL


Assay Description
Displacement of [3H](+)Pentazocine from sigma 1 receptor in human Jurkat cells after 120 mins by liquid scintillation counting analysis


Eur J Med Chem 92: 575-82 (2015)


Article DOI: 10.1016/j.ejmech.2014.01.013
BindingDB Entry DOI: 10.7270/Q2ZC84JZ
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50072430
PNG
(CHEMBL3409382)
Show SMILES CN(CCCn1c2ccccc2n(C)c1=O)Cc1ccccc1
Show InChI InChI=1S/C19H23N3O/c1-20(15-16-9-4-3-5-10-16)13-8-14-22-18-12-7-6-11-17(18)21(2)19(22)23/h3-7,9-12H,8,13-15H2,1-2H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
>100n/an/an/an/an/an/an/an/a



Univ Lille Nord de France

Curated by ChEMBL


Assay Description
Displacement of [3H](+)Pentazocine from sigma 1 receptor in human Jurkat cells after 120 mins by liquid scintillation counting analysis


Eur J Med Chem 92: 575-82 (2015)


Article DOI: 10.1016/j.ejmech.2014.01.013
BindingDB Entry DOI: 10.7270/Q2ZC84JZ
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%